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Information card for entry 4313258
Preview
Coordinates | 4313258.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H33 B N6 S Zn |
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Calculated formula | C36 H33 B N6 S Zn |
SMILES | [Zn]12(Sc3ccccc3)[n]3n([BH](n4[n]1c(cc4C)c1ccccc1)n1[n]2c(cc1C)c1ccccc1)c(cc3c1ccccc1)C |
Title of publication | Zinc-Bound Thiolate-Disulfide Exchange: A Strategy for Inhibiting Metallo-β-lactamases |
Authors of publication | Heidi Boerzel; Margery Koeckert; Weiming Bu; Bernhard Spingler; Stephen J. Lippard |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 1604 - 1615 |
a | 19.478 ± 0.002 Å |
b | 11.1977 ± 0.0013 Å |
c | 33.904 ± 0.003 Å |
α | 90° |
β | 118.398 ± 0.004° |
γ | 90° |
Cell volume | 6504.9 ± 1.2 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.076 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.0779 |
Weighted residual factors for all reflections included in the refinement | 0.093 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4313258.html
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